SCHEMBL1727339

SCHEMBL1727339

CCCOc1ccccc1C(=O)O.P=NP

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 5/20 0.59
PTK2B Q14289 1/20 0.59
MEN1 O00255 3/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HTT P42858 2/20 0.50
PTPN11 Q06124 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31643582 0.91 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BMEN1HIF1A
SCHEMBL124950 0.91 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BMEN1HIF1A
Bicarbonate SCHEMBL21753663 0.89 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A
SCHEMBL28219872 0.89 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A
Bicarbonate SCHEMBL236595 0.89 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A
Bicarbonate SCHEMBL29943695 0.89 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A
SCHEMBL1727465 0.88 LMNA (0.55) ALDH1A1KMT2APTK2BMEN1KDM4E
Fumaric Acid SCHEMBL28890188 0.83 ALDH1A1 (0.61) ALDH1A1KMT2APTK2BMEN1HIF1A
SCHEMBL301123 0.82 KMT2A (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A
SCHEMBL29994009 0.82 KMT2A (0.69) ALDH1A1KMT2APTK2BMEN1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403544-B1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS GRAFTYS (FR) 2018-11-14 EP disclosed
US-8894958-B2 Galliated calcium phosphate biomaterials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-11-25 US disclosed
US-20120111226-A1 Galliated Calcium Phosphate Biomaterials GRAFTYS (FR) 2012-05-10 US disclosed
EP-2403544-A1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS Graftys (FR) 2012-01-11 EP disclosed
US-20100248191-A1 Galliated calcium phosphate biomaterials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-30 US disclosed
EP-2228080-A1 Galliated calcium phosphate biomaterials Graftys (FR) 2010-09-15 EP disclosed
WO-2010100211-A1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS GRAFTYS (FR) 2010-09-10 WO disclosed